KEGG   COMPOUND: C09459Help
Entry
C09459                      Compound                               

Name
Hasubanonine
Formula
C21H27NO5
Exact mass
373.1889
Mol weight
373.4428
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09459  Hasubanonine
BRITE hierarchy
Other DBs
CAS: 1805-85-2
PubChem: 11650
ChEBI: 5629
ChEMBL: CHEMBL1724728
KNApSAcK: C00001864
3DMET: B02987
NIKKAJI: J17.191C
KCF data Show

ATOM        27
            1   C1z C    26.0753  -17.3636
            2   C1z C    27.2830  -18.0302
            3   C8y C    26.1396  -16.0335
            4   C1x C    24.9843  -18.0128
            5   C1x C    27.2830  -16.6840
            6   C1x C    28.4382  -17.3751
            7   C2y C    27.2771  -19.3604
            8   C8y C    27.2888  -15.3784
            9   C8y C    24.9843  -15.3784
            10  C5x C    24.9784  -19.3430
            11  C1x C    29.5818  -16.6373
            12  C1x C    28.4439  -16.0394
            13  N1y N    29.5935  -18.0418
            14  C2y C    26.1220  -20.0098
            15  O2a O    28.4439  -20.0213
            16  C8x C    27.2888  -14.0438
            17  C8y C    24.9843  -14.0438
            18  O2a O    23.8058  -16.0509
            19  O5x O    23.8175  -20.0038
            20  O2a O    26.1163  -21.3500
            21  C8x C    26.1453  -13.3759
            22  O2a O    23.8292  -13.3759
            23  C1a C    22.6343  -15.3727
            24  C1a C    27.2888  -22.0355
            25  C1a C    22.6740  -14.0438
            26  C1a C    30.7564  -17.3553
            27  C1a C    28.4510  -21.3806
BOND        30
            1     1   3 1
            2     1   4 1
            3     1   5 1 #Down
            4     2   6 1
            5     2   7 1
            6     3   8 2
            7     3   9 1
            8     4  10 1
            9     5  11 1
            10    6  12 1
            11    7  14 2
            12    7  15 1
            13    8  16 1
            14    9  17 2
            15    9  18 1
            16   10  19 2
            17   14  20 1
            18   16  21 2
            19   17  22 1
            20   18  23 1
            21   20  24 1
            22   22  25 1
            23    8  12 1
            24   10  14 1
            25   11  13 1
            26   17  21 1
            27    2  13 1 #Down
            28   13  26 1
            29    1   2 1
            30   15  27 1

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